4BI2
Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor
Summary for 4BI2
Entry DOI | 10.2210/pdb4bi2/pdb |
Related | 4BHZ 4BI0 4BI1 |
Descriptor | DUAL SPECIFICITY PROTEIN KINASE TTK, 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ... (5 entities in total) |
Functional Keywords | transferase, mitosis |
Biological source | HOMO SAPIENS (HUMAN) |
Total number of polymer chains | 1 |
Total formula weight | 36736.01 |
Authors | Langdon, S.R.,Westwood, I.M.,van Montfort, R.L.M.,Brown, N.,Blagg, J. (deposition date: 2013-04-09, release date: 2013-05-22, Last modification date: 2023-12-20) |
Primary citation | Langdon, S.R.,Westwood, I.M.,Van Montfort, R.L.M.,Brown, N.,Blagg, J. Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of Ttk Inhibitors. J.Chem.Inf.Model, 53:1100-, 2013 Cited by PubMed: 23672464DOI: 10.1021/CI400100C PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (3.11 Å) |
Structure validation
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